4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H18BrN7O2 — CID 56586278

IUPAC4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1-n1nnnc1C
InChIInChI=1S/C16H18BrN7O2/c1-8(2)14-13(17)15(21-20-14)16(25)18-10-5-6-12(26-4)11(7-10)24-9(3)19-22-23-24/h5-8H,1-4H3,(H,18,25)(H,20,21)
InChIKeyKSCKUVNGQCLSCH-UHFFFAOYSA-N
MW420.27 g/mol
LogP2.84
Rot. Bonds5

About 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56586278) has the molecular formula C16H18BrN7O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56586278
Molecular FormulaC16H18BrN7O2
Molecular Weight420.27 g/mol
Exact Mass419.07
IUPAC Name4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1-n1nnnc1C
InChIInChI=1S/C16H18BrN7O2/c1-8(2)14-13(17)15(21-20-14)16(25)18-10-5-6-12(26-4)11(7-10)24-9(3)19-22-23-24/h5-8H,1-4H3,(H,18,25)(H,20,21)
InChIKeyKSCKUVNGQCLSCH-UHFFFAOYSA-N
XLogP2.84
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56586278) is 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c(C(C)C)c2Br)cc1-n1nnnc1C.
What is the InChIKey of 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KSCKUVNGQCLSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN7O2/c1-8(2)14-13(17)15(21-20-14)16(25)18-10-5-6-12(26-4)11(7-10)24-9(3)19-22-23-24/h5-8H,1-4H3,(H,18,25)(H,20,21).
What are the key properties of 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56586278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).